Relativistic effects in physics and chemistry of element 105. II. Electronic structure and properties of group 5 elements bromides

Publisher Website
Google Scholar
Abstract
Relativistic self‐consistent charge Dirac–Slater discrete variational method calculations have been done for the series of molecules MBr5, where M=Nb, Ta, Pa, and element 105, Ha. The electronic structure data show that the trends within the group 5 pentabromides resemble those for the corresponding pentaclorides with the latter being more ionic. Estimation of the volatility of group 5 bromides has been done on the basis of the molecular orbital calculations. According to the results of the theoretical interpretation HaBr5 seems to be more volatile than NbBr5 and TaBr5.